2026-10-31_00000256
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ligand
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15JL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005112;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUY
InChI=1S/C11H15N5/c1-8-6-16(5-4-12-8)11-9-2-3-13-10(9)14-7-15-11/h2-3,7-8,12H,4-6H2,1H3,(H,13,14,15)/t8-/m0/s1
InChI=1S/C11H15N5/c1-8-6-16(5-4-12-8)11-9-2-3-13-10(9)14-7-15-11/h2-3,7-8,12H,4-6H2,1H3,(H,13,14,15)/t8-/m0/s1
SMILES: C[C@H]1CN(CCN1)c2c3cc[nH]c3ncn2
C[C@H]1CN(CCN1)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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